3-[[N,N'-dimethyl-N-(oxolan-3-ylmethyl)carbamimidoyl]amino]-N-propylpropanamide

C14H28N4O2 — CID 109381450

IUPAC3-[[N,N'-dimethyl-N-(oxolan-3-ylmethyl)carbamimidoyl]amino]-N-propylpropanamide
SMILESCCCNC(=O)CCN/C(=N\C)N(C)CC1CCOC1
InChIInChI=1S/C14H28N4O2/c1-4-7-16-13(19)5-8-17-14(15-2)18(3)10-12-6-9-20-11-12/h12H,4-11H2,1-3H3,(H,15,17)(H,16,19)
InChIKeyILCPMQSSRWTGQS-UHFFFAOYSA-N
MW284.40 g/mol
LogP0.45
Rot. Bonds7

About 3-[[N,N'-dimethyl-N-(oxolan-3-ylmethyl)carbamimidoyl]amino]-N-propylpropanamide

3-[[N,N'-dimethyl-N-(oxolan-3-ylmethyl)carbamimidoyl]amino]-N-propylpropanamide (PubChem CID 109381450) has the molecular formula C14H28N4O2 and a molecular weight of 284.40 g/mol. Its IUPAC name is 3-[[N,N'-dimethyl-N-(oxolan-3-ylmethyl)carbamimidoyl]amino]-N-propylpropanamide.

Molecular Properties

Compound Name3-[[N,N'-dimethyl-N-(oxolan-3-ylmethyl)carbamimidoyl]amino]-N-propylpropanamide
PubChem CID109381450
Molecular FormulaC14H28N4O2
Molecular Weight284.40 g/mol
Exact Mass284.22
IUPAC Name3-[[N,N'-dimethyl-N-(oxolan-3-ylmethyl)carbamimidoyl]amino]-N-propylpropanamide
SMILESCCCNC(=O)CCN/C(=N\C)N(C)CC1CCOC1
InChIInChI=1S/C14H28N4O2/c1-4-7-16-13(19)5-8-17-14(15-2)18(3)10-12-6-9-20-11-12/h12H,4-11H2,1-3H3,(H,15,17)(H,16,19)
InChIKeyILCPMQSSRWTGQS-UHFFFAOYSA-N
XLogP0.45
TPSA65.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[[N,N'-dimethyl-N-(oxolan-3-ylmethyl)carbamimidoyl]amino]-N-propylpropanamide?
The IUPAC name of 3-[[N,N'-dimethyl-N-(oxolan-3-ylmethyl)carbamimidoyl]amino]-N-propylpropanamide (CID 109381450) is 3-[[N,N'-dimethyl-N-(oxolan-3-ylmethyl)carbamimidoyl]amino]-N-propylpropanamide.
What is the SMILES notation for 3-[[N,N'-dimethyl-N-(oxolan-3-ylmethyl)carbamimidoyl]amino]-N-propylpropanamide?
The canonical SMILES for 3-[[N,N'-dimethyl-N-(oxolan-3-ylmethyl)carbamimidoyl]amino]-N-propylpropanamide is CCCNC(=O)CCN/C(=N\C)N(C)CC1CCOC1.
What is the InChIKey of 3-[[N,N'-dimethyl-N-(oxolan-3-ylmethyl)carbamimidoyl]amino]-N-propylpropanamide?
The InChIKey is ILCPMQSSRWTGQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4O2/c1-4-7-16-13(19)5-8-17-14(15-2)18(3)10-12-6-9-20-11-12/h12H,4-11H2,1-3H3,(H,15,17)(H,16,19).
What are the key properties of 3-[[N,N'-dimethyl-N-(oxolan-3-ylmethyl)carbamimidoyl]amino]-N-propylpropanamide?
3-[[N,N'-dimethyl-N-(oxolan-3-ylmethyl)carbamimidoyl]amino]-N-propylpropanamide has a molecular weight of 284.40 g/mol, XLogP of 0.45, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[N,N'-dimethyl-N-(oxolan-3-ylmethyl)carbamimidoyl]amino]-N-propylpropanamide is sourced from PubChem (CID 109381450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).